2-chloranyl-1-ethynyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol

Systemtic Name: 2-chloranyl-1-ethynyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol Openeye Name: 2-chloro-1-ethynyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol CAS Name: 2-chloro-1-ethynyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol IUPAC Name: 2-chloro-1-ethynyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol Traditional Name: 2-chloro-1-ethynyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol Formula: C22H25ClO2 MolecularWeight: 356.8857

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC=C(C2(C#C)O)Cl)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

CC12CCC3C(C1CC=C(C2(C#C)O)Cl)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H25ClO2/c1-4-22(24)20(23)10-9-19-18-7-5-14-13-15(25-3)6-8-16(14)17(18)11-12-21(19,22)2/h1,6,8,10,13,17-19,24H,5,7,9,11-12H2,2-3H3